3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

C18H19BrN6O2S — CID 122346060

IUPAC3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)nn2)n1
InChIInChI=1S/C18H19BrN6O2S/c1-14-8-9-25(22-14)18-7-6-17(20-21-18)23-10-12-24(13-11-23)28(26,27)16-5-3-2-4-15(16)19/h2-9H,10-13H2,1H3
InChIKeyCWDKWLVOIMTKHF-UHFFFAOYSA-N
MW463.36 g/mol
LogP2.24
Rot. Bonds4

About 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (PubChem CID 122346060) has the molecular formula C18H19BrN6O2S and a molecular weight of 463.36 g/mol. Its IUPAC name is 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
PubChem CID122346060
Molecular FormulaC18H19BrN6O2S
Molecular Weight463.36 g/mol
Exact Mass462.05
IUPAC Name3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)nn2)n1
InChIInChI=1S/C18H19BrN6O2S/c1-14-8-9-25(22-14)18-7-6-17(20-21-18)23-10-12-24(13-11-23)28(26,27)16-5-3-2-4-15(16)19/h2-9H,10-13H2,1H3
InChIKeyCWDKWLVOIMTKHF-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346010
3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine
CID 122346034
4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343646
N-[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122346057
2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
CID 122346049
2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 133290882
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122346052
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
2-(2-chlorophenyl)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345835

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (CID 122346060) is 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)nn2)n1.
What is the InChIKey of 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The InChIKey is CWDKWLVOIMTKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O2S/c1-14-8-9-25(22-14)18-7-6-17(20-21-18)23-10-12-24(13-11-23)28(26,27)16-5-3-2-4-15(16)19/h2-9H,10-13H2,1H3.
What are the key properties of 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine has a molecular weight of 463.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 122346060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).